SCHEMBL9435217

SCHEMBL9435217

CCC(C)Oc1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.48
MMP3 P08254 4/20 0.48
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
HRH3 Q9Y5N1 5/20 0.44
HRH2 P25021 2/20 0.44
HRH1 P35367 2/20 0.44
ACACB O00763 2/20 0.44
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 1/20 0.42
KIF11 P52732 1/20 0.42
CYP2A6 P11509 1/20 0.41
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16437755 1.00 MMP2 (0.48) MMP2MMP3ALDH1A1HPGDHRH3
SCHEMBL26383732 1.00 MMP2 (0.48) MMP2MMP3ALDH1A1HPGDHRH3
SCHEMBL25801725 0.95 ACACB (0.47) MMP2MMP3ALDH1A1HPGDHRH3
SCHEMBL25801724 0.95 ACACB (0.47) MMP2MMP3ALDH1A1HPGDHRH3
SCHEMBL1445330 0.95 ACACB (0.47) MMP2MMP3ALDH1A1HPGDHRH3
SCHEMBL9869613 0.88 MMP2 (0.49) MMP2MMP3ALDH1A1HPGDHRH3
SCHEMBL7697419 0.87 ALDH1A1 (0.48) MMP2MMP3ALDH1A1HPGDHRH3
SCHEMBL8684544 0.84 ALDH1A1 (0.48) MMP2MMP3ALDH1A1HPGDHRH3
SCHEMBL12155267 0.82 MMP2 (0.45) MMP2MMP3ALDH1A1HPGDHRH3
SCHEMBL9906551 0.82 MMP2 (0.45) MMP2MMP3ALDH1A1HPGDHRH3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 124 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210214615-A1 LIQUID CRYSTAL DISPLAY DEVICE AND DISPLAY UNIT JNC CORPORATION (JP) 2021-07-15 US disclosed
US-20200239775-A1 TETRACYCLIC LIQUID CRYSTAL COMPOUND HAVING DIATOMIC BONDING GROUP AND 2,3-DIFLUOROPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2020-07-30 US disclosed
US-10676669-B2 Compound having naphthalene ring, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2020-06-09 US disclosed
US-10662379-B2 Polymerizable polar compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2020-05-26 US disclosed
US-10377949-B2 Liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2019-08-13 US disclosed
US-10323187-B2 Liquid crystal compound having biphenylene, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2019-06-18 US disclosed
US-10253259-B2 Polymerizable compound having conjugated bonds, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2019-04-09 US disclosed
US-20190078019-A1 COMPOUND HAVING NAPHTHALENE RING, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2019-03-14 US disclosed
US-20180195005-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-07-12 US disclosed
US-20180195005-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-07-12 US disclosed
US-7435455-B2 Dihydrocoumarin derivative, liquid crystal composition containing the same, and liquid crystal display device CHISSO CORPORATION (JP) 2008-10-14 US disclosed
US-7247355-B2 Liquid crystal compound having chroman ring, liquid crystal composition comprising the compound and liquid crystal display device comprising the composition CHISSO CORPORATION (JP) 2007-07-24 US disclosed
US-7247355-B2 Liquid crystal compound having chroman ring, liquid crystal composition comprising the compound and liquid crystal display device comprising the composition CHISSO CORPORATION (JP) 2007-07-24 US disclosed
US-7157124-B2 Polymerizable compounds and their polymers CHISSO PETROCHEMICAL CORPORATION (JP) 2007-01-02 US disclosed
US-7157124-B2 Polymerizable compounds and their polymers CHISSO PETROCHEMICAL CORPORATION (JP) 2007-01-02 US disclosed
US-5279762-A High speed switching MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-01-18 US disclosed
EP-0220296-B1 SMECTIC LIQUID CRYSTALLINE PHASES HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-28 EP disclosed
US-5064566-A Chirally tilted, pyrimidines, pyridines, or pyrazines, stability MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-11-12 US disclosed
EP-0220296-A1 SMECTIC LIQUID CRYSTALLINE PHASES. MERCK PATENT GMBH (DE) 1987-05-06 EP disclosed
WO-1986006401-A1 SMECTIC LIQUID CRYSTALLINE PHASES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1986-11-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180195005-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE SP1, MBD2, PAXBP1 MMP2 2149/4885MMP3 1476/4885ALDH1A1 3826/4885
US-10662379-B2 Polymerizable polar compound, liquid crystal composition and liquid crystal display device SP1, MBD2, PAXBP1 MMP2 2149/4885MMP3 1476/4885ALDH1A1 3826/4885
US-10676669-B2 Compound having naphthalene ring, liquid crystal composition and liquid crystal display device PYM1, CXCR1, CPNE4 MMP2 3860/4885MMP3 2903/4885ALDH1A1 2514/4885
US-10323187-B2 Liquid crystal compound having biphenylene, liquid crystal composition and liquid crystal display device YBX1, PIEZO1, C1S MMP2 1855/4885MMP3 1413/4885ALDH1A1 1182/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.